[1-(trimethylsilyl)indenyl]titanium trichloride | 876732-60-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [1-(trimethylsilyl)indenyl]titanium trichloride
• 英文别名: (η(5)-1-trimethylsilylindenyl)trichlorotitanium；1-trimethylsilylindenyltrichlorotitanium；(η5:1-Me3SiC9H6)TiCl3；Inden-1-id-1-yl(trimethyl)silane;trichlorotitanium(1+)；inden-1-id-1-yl(trimethyl)silane;trichlorotitanium(1+)
• CAS: 876732-60-4；172704-97-1；876732-01-3
• 化学式: C₁₂H₁₅Cl₃SiTi
• 分子量: 341.576
• InChiKey: FZLVQBKLRQBGNI-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  叔丁醇 、 [1-(trimethylsilyl)indenyl]titanium trichloride 在 正丁基锂 作用下， 以 乙醚 为溶剂， 反应 0.33h， 以79%的产率得到
  参考文献：
  名称：

  Ti（ƞ5 -1-SiMe 3 -C 9 H 6）（Cl）2（OR）：结构与键合

  摘要：

  LiOR（2a，R = 2,6- t Bu 2 C 6 H 3; 2b，R = 2,6-Ph）对Ti（η5 -1-SiMe 3 C 9 H 6）Cl 3（1）的抽象处理2 C 6 H 3； 2c，R = i C 3 H 7； 2d，R = t C 4 H 9）以1：1 M的比例生成半夹心化合物Ti（η5 -1-SiMe 3 C 9 H 6）（Cl）2（OR）（3a，R = 2,6- t Bu 2 C 6 H 3; 3b，R = 2,6-Ph 2 C 6 H 3; 3c，R = i C 3 H 7 ； 3d，R ＝ t C 4 H 9）。当1与一倍过量的HOR（2c，R = i C 3 H 7； 2d，R = t C 4 H 9）在回流的苯中反应时，化合物3c，d也是可及的。固态3b的分子结构通过单晶X射线衍射研究确定，证实了钢琴凳的几何形状。为了更好地理解和合理化键的性质，并在B3LYP /

  DOI：

  10.1016/j.ica.2018.03.003
• 作为产物：
  描述：

  1,3-bis(trimethylsilyl)indene 、 四氯化钛 以 二氯甲烷 为溶剂， 以97%的产率得到[1-(trimethylsilyl)indenyl]titanium trichloride
  参考文献：
  名称：

  茚基氯化钛：乙烯聚合和结构反应性研究

  摘要：

  茚基氯化钛：乙烯聚合和结构反应性研究半夹心配合物 [(η5-C9H7) TiCl3] (3a), [(η5-Me3Si-1-C9H6) TiCl3] (3b), [(η5-Me-1 -C9H6) TiCl3] (3c), [(η5-Me2-4,7-C9H5) TiCl3] (3d), [(η5-Me3Si-2-C9H6) TiCl3] (3e), [(η5-Me2-1 , 3-C9H5) TiCl3] (3f), [(η5- (CH2) 3–5,6-C9H5) TiCl3] (4), 和 [(η5- (CH2) 3–1,7-C9H5) TiCl3] (5) 可通过使 1 位或 3 位 Me3Si 官能化的适当茚与 TiCl4 反应来获得。CG-TiCl2 化合物（CG = Constraint Geometry）可以通过 Br-2-C9H7 (6a)、Br-2-Me2-1,3-C9H5 (6b)

  DOI：

  10.1002/zaac.200700127

文献信息

• Chiral Indenes and Group‐4 Metallocene Dichlorides Containing α‐ and β‐Pinenyl‐Derived Ligand Substituents: Synthesis and Catalytic Applications in Polymerization and Carboalumination Reactions
  作者：Satu Silver、Arto Puranen、Rainer Sjöholm、Timo Repo、Reko Leino

  DOI：10.1002/ejic.200400882

  日期：2005.4

  1]hept-2-yl]methyl}dimethylsilyl substituent in both 1- and 2-positions of the indenyl moiety were prepared and isolated in moderate to low yields by reaction of the corresponding indenyllithium salts with ZrCl4 followed by work-up and crystallization procedures. The corresponding tetrahydroindenyl complexes were obtained in excellent yields by catalytic hydrogenation of the indenyl six-membered rings. In a complementary

  报道了含有β-蒎烯基衍生配体取代基的手性双（茚基）二氯化锆的合成和表征。制备并分离了在茚基部分的 1-和 2-位具有[(1S,2S,5S)-6,6-二甲基双环[3.1.1]庚-2-基]甲基}二甲基甲硅烷基取代基的未桥连茂金属配合物通过相应的茚基锂盐与 ZrCl4 反应，然后进行后处理和结晶程序，以中等至低产率获得。通过茚基六元环的催化氢化，以优异的产率获得了相应的四氢茚基配合物。在补充方法中，简要评估了 α-蒎烯基取代的茚基配体类似物的合成路线，但收率低。选定的 β-蒎烯基取代的茚基配合物被扫描作为催化剂，用于苯基硅烷在用 nBuLi 活化后脱氢聚合、乙烯和丙烯在用甲基铝氧烷 (MAO) 活化后聚合以及用三乙基和三甲基铝对 1-辛烯进行对映选择性碳铝化. 双（茚基）配合物催化了碳铝化反应，尽管仅获得了低产率 (8-16%) 和低对映选择性 (ee = 0.5-10%)。2-取代双（茚基）
• Alkyl-substituted indenyl titanium precursors for syndiospecific ziegler-natta polymerization of styrene
  作者：Thomas E. Ready、James C.W. Chien、Marvin D. Rausch

  DOI：10.1016/s0022-328x(96)06153-0

  日期：1996.7

  A variety of 1- and 3-substituted alkylindenes (R = H, Me, Et, tert-butyl, Me(3)Si) as well as 2-methylindene and 3-(methylthio)indene have been prepared in good yields. The substituted indenes were converted into trimethylsilyl derivatives via reactions of intermediate organolithium complexes with chlorotrimethylsilane. The corresponding titanium complexes, (R-Ind)TiCl3, were synthesized in excellent yield from reactions of the trimethylsilyl derivatives with TiCl4. The titanium complexes were evaluated as styrene polymerization catalysts in toluene solution when activated by methylaluminoxane. Activities increased in the order: Cp < H(4)Ind < Ind < 1-(Me)Ind < 2-(Me)Ind. A steep drop in activity was observed when R = Et, tert-butyl, and Me(3)Si, corresponding to an increase in the steric bulk of the substituent in the catalyst precursor. 1-(MeS)IndTiCl(3) was found to be ineffective as a styrene polymerization catalyst. Syndiospecificities of the titanium complexes were generally very good (65-98%).
• Synthesis and polymerization behavior of various substituted indenyl titanium complexes as catalysts for syndiotactic polystyrene
  作者：Youngjo Kim、Bo Hwan Koo、Youngkyu Do

  DOI：10.1016/s0022-328x(96)06607-7

  日期：1997.1

  Five substituted indenyltrichlorotitanium compounds have been synthesized and characterized by spectroscopic methods and their catalytic behavior for the polymerization of styrene was studied in the presence of methylaluminoxane (MAO) as a cocatalyst. Substituted indenyl ligands include 1,3-dimethyl, 1-methyl, 1-ethyl, 1-isopropyl and 1-(trimethylsilyl)indenyl groups. All five compounds gave extremely pure syndiotactic polystyrene, with conversion rates of at least 95%, and their catalytic properties were compared with the data obtained from the (eta(5)-indenyl)trichlorotitanium-MAO system. The catalytic activity is enhanced by less bulky and better electron-releasing substituents of the indenyl ligand.
• Ti(ƞ5-1-SiMe3-C9H6)(Cl)2(OR): Structure and bonding
  作者：Deeb Taher、Sami Klaib、Firas F. Awwadi、Wissam Helal、Mohammed Gharaibeh、Gerd Rheinwald、Tobias Rüffer、Heinrich Lang

  DOI：10.1016/j.ica.2018.03.003

  日期：2018.5

  Abstract Treatment of Ti(η 5 -1-SiMe 3 C 9 H 6 )Cl 3 ( 1 ) with LiOR ( 2a , R = 2,6- t Bu 2 C 6 H 3 ; 2b , R = 2,6-Ph 2 C 6 H 3 ; 2c , R = i C 3 H 7 ; 2d , R = t C 4 H 9 ) in a 1:1 M ratio produced half-sandwich compounds Ti(η 5 -1-SiMe 3 C 9 H 6 )(Cl) 2 (OR) ( 3a , R = 2,6- t Bu 2 C 6 H 3 ; 3b , R = 2,6-Ph 2 C 6 H 3 ; 3c , R = i C 3 H 7 ; 3d , R = t C 4 H 9 ) in high yield. Compounds 3c , d were also

  LiOR（2a，R = 2,6- t Bu 2 C 6 H 3; 2b，R = 2,6-Ph）对Ti（η5 -1-SiMe 3 C 9 H 6）Cl 3（1）的抽象处理2 C 6 H 3； 2c，R = i C 3 H 7； 2d，R = t C 4 H 9）以1：1 M的比例生成半夹心化合物Ti（η5 -1-SiMe 3 C 9 H 6）（Cl）2（OR）（3a，R = 2,6- t Bu 2 C 6 H 3; 3b，R = 2,6-Ph 2 C 6 H 3; 3c，R = i C 3 H 7 ； 3d，R ＝ t C 4 H 9）。当1与一倍过量的HOR（2c，R = i C 3 H 7； 2d，R = t C 4 H 9）在回流的苯中反应时，化合物3c，d也是可及的。固态3b的分子结构通过单晶X射线衍射研究确定，证实了钢琴凳的几何形状。为了更好地理解和合理化键的性质，并在B3LYP /
• Indenyl-Titanchloride: Ethen-Polymerisation und Struktur-Reaktivitäts-Untersuchungen
  作者：T. Weiß、S. Völkening、T. Rüffer、E. Meichel、H. Sachse、G. Rheinwald、H. Lang

  DOI：10.1002/zaac.200700127

  日期：2007.10

  Indenyl-Titaniumchlorides: Ethene-Polymerization and Structure-Reactivity Studies The halfsandwich complexes [(η5-C9H7)TiCl3] (3a), [(η5-Me3Si-1-C9H6)TiCl3] (3b), [(η5-Me-1-C9H6)TiCl3] (3c), [(η5-Me2-4,7-C9H5)TiCl3] (3d), [(η5-Me3Si-2-C9H6)TiCl3] (3e), [(η5-Me2–1,3-C9H5)TiCl3] (3f), [(η5-(CH2)3–5,6-C9H5)TiCl3] (4), and [(η5-(CH2)3–1,7-C9H5)TiCl3] (5) are accessible by reacting the in position 1 or

  茚基氯化钛：乙烯聚合和结构反应性研究半夹心配合物 [(η5-C9H7) TiCl3] (3a), [(η5-Me3Si-1-C9H6) TiCl3] (3b), [(η5-Me-1 -C9H6) TiCl3] (3c), [(η5-Me2-4,7-C9H5) TiCl3] (3d), [(η5-Me3Si-2-C9H6) TiCl3] (3e), [(η5-Me2-1 , 3-C9H5) TiCl3] (3f), [(η5- (CH2) 3–5,6-C9H5) TiCl3] (4), 和 [(η5- (CH2) 3–1,7-C9H5) TiCl3] (5) 可通过使 1 位或 3 位 Me3Si 官能化的适当茚与 TiCl4 反应来获得。CG-TiCl2 化合物（CG = Constraint Geometry）可以通过 Br-2-C9H7 (6a)、Br-2-Me2-1,3-C9H5 (6b)